Vitas-M small molecule compound

methyl 6-{[4-(2-chlorophenyl)piperazin-1-yl]methyl}-4-(4-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Catalog ID
STL027919
SMILES CCOc1ccc(cc1)C1NC(=O)NC(=C1C(=O)OC)CN1CCN(CC1)c1ccccc1Cl

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C25H29ClN4O4 MW 484.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29ClN4O4/c1-3-34-18-10-8-17(9-11-18)23-22(24(31)33-2)20(27-25(32)28-23)16-29-12-14-30(15-13-29)21-7-5-4-6-19(21)26/h4-11,23H,3,12-16H2,1-2H3,(H2,27,28,32)
InChIKey
GCUSPYITZNWZHT-UHFFFAOYSA-N
Synonyms
1252928-14-5
1252928145
CCOC1=CC=C(C=C1)C2C(=C(NC(=O)N2)CN3CCN(CC3)C4=CC=CC=C4Cl)C(=O)OC
InChI=1SC25H29ClN4O4c13341810817(91118)2322(24(31)332)20(2725(32)2823)1629121430(151329)21754619(21)26h41123H31216H212H3(H2272832)
methyl6((4(2chlorophenyl)piperazin1yl)methyl)4(4ethoxyphenyl)2oxo1234tetrahydropyrimidine5carboxylate
methyl6((4(2chlorophenyl)piperazin1yl)methyl)4(4ethoxyphenyl)2oxo34dihydro1Hpyrimidine5carboxylate
MFCD18188510
ZINC000067689670
ZINC000067689671

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Available files

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